4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

C25H18Cl2N2O3 — CID 137105843

About 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide

4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (PubChem CID 137105843) has the molecular formula C25H18Cl2N2O3 and a molecular weight of 465.34 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

Molecular Properties

• Compound Name: 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
• PubChem CID: 137105843
• Molecular Formula: C25H18Cl2N2O3
• Molecular Weight: 465.34 g/mol
• Exact Mass: 464.07
• IUPAC Name: 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
• SMILES: O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C25H18Cl2N2O3/c26-19-9-5-18(23(27)13-19)15-32-20-10-6-17(7-11-20)25(31)29-28-14-22-21-4-2-1-3-16(21)8-12-24(22)30/h1-14,30H,15H2,(H,29,31)/b28-14-
• InChIKey: PPPQUYVHXBLYHK-MUXKCCDJSA-N
• XLogP: 6.20
• TPSA: 70.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.34
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?

The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide (CID 137105843) is 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide.

What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?

The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.

What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?

The InChIKey is PPPQUYVHXBLYHK-MUXKCCDJSA-N. The full InChI is InChI=1S/C25H18Cl2N2O3/c26-19-9-5-18(23(27)13-19)15-32-20-10-6-17(7-11-20)25(31)29-28-14-22-21-4-2-1-3-16(21)8-12-24(22)30/h1-14,30H,15H2,(H,29,31)/b28-14-.

What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide?

4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide has a molecular weight of 465.34 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2,4-dichlorophenyl)methoxy]-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide is sourced from PubChem (CID 137105843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).